2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

C16H15ClN2O3 — CID 54683308

IUPAC2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C16H15ClN2O3/c1-18-9-11-5-6-19(8-10-3-2-4-12(17)7-10)15(21)13(11)14(20)16(18)22/h2-4,7,9,20H,5-6,8H2,1H3
InChIKeyHZMZBHXQKPRKMK-UHFFFAOYSA-N
MW318.76 g/mol
LogP1.94
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione

2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (PubChem CID 54683308) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
PubChem CID54683308
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione
SMILESCn1cc2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C16H15ClN2O3/c1-18-9-11-5-6-19(8-10-3-2-4-12(17)7-10)15(21)13(11)14(20)16(18)22/h2-4,7,9,20H,5-6,8H2,1H3
InChIKeyHZMZBHXQKPRKMK-UHFFFAOYSA-N
XLogP1.94
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione (CID 54683308) is 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is Cn1cc2c(c(O)c1=O)C(=O)N(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
The InChIKey is HZMZBHXQKPRKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-18-9-11-5-6-19(8-10-3-2-4-12(17)7-10)15(21)13(11)14(20)16(18)22/h2-4,7,9,20H,5-6,8H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione?
2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione has a molecular weight of 318.76 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-8-hydroxy-6-methyl-3,4-dihydro-2,6-naphthyridine-1,7-dione is sourced from PubChem (CID 54683308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).